BDBM50333164 CHEMBL1644837::Methyl3-({[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]acetyl}amino)benzoate dihydrochloride

SMILES: COC(=O)c1cccc(NC(=O)Cc2c(C)nc(CC(C)C)c(CN)c2-c2ccc(C)cc2)c1

InChI Key: InChIKey=FDGDHDCUVUIVMC-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50333164   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333164 (CHEMBL1644837 | Methyl3-({[5-(aminomethyl)-2-methy...) Show SMILES COC(=O)c1cccc(NC(=O)Cc2c(C)nc(CC(C)C)c(CN)c2-c2ccc(C)cc2)c1 Show InChI InChI=1S/C28H33N3O3/c1-17(2)13-25-24(16-29)27(20-11-9-18(3)10-12-20)23(19(4)30-25)15-26(32)31-22-8-6-7-21(14-22)28(33)34-5/h6-12,14,17H,13,15-16,29H2,1-5H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair